SCHEMBL16478760

SCHEMBL16478760

CCC1CN(C(=O)OC)CC1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.47
▸ CHRNA4 P43681 3/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ TSHR P16473 1/20 0.44
▸ PDE4B Q07343 3/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ BRD4 O60885 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ USP2 O75604 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12683361 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL27265451 0.86 TSHR (0.39) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL16472382 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL12683426 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL12683334 0.81 NR1H2 (0.53) PDE4BNR1H2KMT2AUSP2
SCHEMBL25617959 0.81 NR1H2 (0.53) PDE4BNR1H2KMT2AUSP2
SCHEMBL21603201 0.81 NR1H2 (0.53) PDE4BNR1H2KMT2AUSP2
SCHEMBL16472381 0.81 NR1H2 (0.53) PDE4BNR1H2KMT2AUSP2
SCHEMBL11992647 0.78 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL18371586 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 — — US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 CHRNB2 4872/4885CHRNA4 4768/4885CHRNB4 4849/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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